Chemical ID: 4672386

c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
Chemical ID:
4672386
Name [?]:
1-(9H-fluoren-9-yl)benzotriazole
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
InChi [?]:
InChI=1/C19H13N3/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)22-18-12-6-5-11-17(18)20-21-22/h1-12,19H
InChi Info:
AuxInfo=1/0/N:1,9,2,10,18,17,6,8,3,11,19,16,5,7,4,12,20,15,13,21,22,14/E:(1,2)(3,4)(7,8)(9,10)(13,14)(15,16)/rA:22nCCCCCCCCCCCCCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13N3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.3664
Area:462.488
Solvation:-2.19581
Coulombic:-8.50136
Bond Count [?]
All:26
Single:16
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:283.327
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.15
LogP (Chemaxon):4.74

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Descriptor Annotations

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